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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/ligands sin-brb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-13.4719947; Eh
	9-Nov-2018	/noDisp/ligands sin-ib3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-11.5189096; Eh
	9-Nov-2018	/noDisp/complexes sin-brk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-41.7848742; Eh
	9-Nov-2018	/noDisp/ligands sin-xeb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-15.5392821; Eh
	9-Nov-2018	/vacuum/complexes pcl3nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3816.01740612; Eh
	9-Nov-2018	/vacuum/complexes pme3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1383.27938239; Eh
	9-Nov-2018	/vacuum/complexes pf3zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1033.39752619; Eh
	9-Nov-2018	/vacuum/complexes pme3zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2069.13154914; Eh
	9-Nov-2018	/vacuum/complexes pf3fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-2145.79984512; Eh
	9-Nov-2018	/vacuum/complexes pf3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1563.06274197; Eh

Results 5951-5960 of 12842 (Search time: 0.006 seconds).